相关论文: MADWAVE3: a quantum time dependent wave packet cod…
We present a fully quantum model for the excitation of a bound electron based on the free-electron bound-electron resonant interaction (FEBERI) scheme. The bound electron is modeled as a quantum two-level system (TLS) at any initial quantum…
We present a computational scheme for ab initio total-energy calculations of materials with strongly interacting electrons using a plane-wave basis set. It combines ab initio band structure and dynamical mean-field theory and is implemented…
The non-radiative electron-relaxation dynamics in C$_{60}$ molecule is studied after selective initial photoexcitations. The methodology includes nonadibabtic molecular simulation combined with time-dependent density functional theory (DFT)…
Despite considerable work on the energy-level and wavefunction statistics of disordered quantum systems, numerical studies of those statistics relevant for electron-electron interactions in mesoscopic systems have been lacking. We plug this…
Many-body dispersion (MBD) is a powerful framework to treat van der Waals (vdW) dispersion interactions in density-functional theory and related atomistic modeling methods. Several independent implementations of MBD with varying degree of…
This is the third (and the last) code in a collection of three programs [Sokolovski et al (2011), Akhmatskaya et al (2014)] dedicated to the analysis of numerical data, obtained in an accurate simulation of an atom-diatom chemical reaction.…
We address the nonadiabatic quantum dynamics of macrosystems with several coupled electronic states, taking into account the possibility of multi-state conical intersections. The general situation of an arbitrary number of states and…
The interplay between different degrees of freedom governs the emergence of correlated electronic states in quantum materials, with charge density waves (CDW) often coexisting with other exotic phases. Under thermal equilibrium, traditional…
We present the implementation of the dipole subtraction formalism for the real radiation contributions to any next-to-leading order QCD process in the MadGraph/MadEvent framework. Both massless and massive dipoles are considered. Starting…
Exposing a molecule to intense light pulses may bring this molecule to a nonstationary quantum state, thus launching correlated dynamics of electronic and nuclear subsystems. Although much had been achieved in the understanding of…
The iEBE-VISHNU code package performs event-by-event simulations for relativistic heavy-ion collisions using a hybrid approach based on (2+1)-dimensional viscous hydrodynamics coupled to a hadronic cascade model. We present the detailed…
A refined cascade model for kinetic turbulence in weakly collisional astrophysical plasmas is presented that includes both the transition between weak and strong turbulence and the effect of nonlocal interactions on the nonlinear transfer…
Three-dimensional (3D) Faddeev integral equations are solved for three-body (3B) bound state problem without using the partial wave (PW) form of low momentum two-body (2B) interaction $V_{low-k}$ which is constructed from spin independent…
A nonlinear kinetic equation for nonrelativistic quantum plasma with electromagnetic interaction of particles is obtained in the Hartree's mean-field approximation. It is cast in a convenient form of Vlasov-Boltzmann-type equation with…
A method to calculate the bound states of three-atoms without resorting to an explicit partial wave decomposition is presented. The differential form of the Faddeev equations in the total angular momentum representation is used for this…
We study the scaling and coordinate transformation to physically simulate quantum three-body collinear chemical reactions of the type A+BC $\rightarrow$ AB+C by the motion of single ultracold atoms or a weakly interacting Bose-Einstein…
We investigate collisions of polar molecules in quasi-2D traps in the presence of an external electric field perpendicular to the collision plane. We use the quantum-defect model characterized by two dimensionless parameters: $y$ and $s$.…
We consider a 2D electron system on a square lattice with hopping beyond nearest neighbors. The existence of the quantum critical point associated with an electronic topological transition in the noninteracting system results in density…
A self-contained Fortran-90 program based on a classical trajectory model with stochastic breakup is presented, which should be a powerful tool for quantifying complete and incomplete fusion, and breakup in reactions induced by weakly-bound…
We introduce a combined molecular dynamics (MD) and quantum trajectories (QT) code to simulate the effects of near-resonant optical fields on state-vector evolution and particle motion in a collisional system. In contrast to collisionless…